methyl (3R,6R)-5-oxidanylidene-6-(2-phenylethanoylamino)-1,4-thiazepane-3-carboxylate

Systemtic Name: methyl (3R,6R)-5-oxidanylidene-6-(2-phenylethanoylamino)-1,4-thiazepane-3-carboxylate Openeye Name: methyl (3R,6R)-5-oxo-6-[(2-phenylacetyl)amino]-1,4-thiazepane-3-carboxylate CAS Name: (3R,6R)-5-oxo-6-[(1-oxo-2-phenylethyl)amino]-1,4-thiazepane-3-carboxylic acid methyl ester IUPAC Name: methyl (3R,6R)-5-oxo-6-[(2-phenylacetyl)amino]-1,4-thiazepane-3-carboxylate Traditional Name: (3R,6R)-5-keto-6-[(2-phenylacetyl)amino]-1,4-thiazepane-3-carboxylic acid methyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CSCC(C(=O)N1)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1CSC[C@@H](C(=O)N1)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C15H18N2O4S/c1-21-15(20)12-9-22-8-11(14(19)17-12)16-13(18)7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,16,18)(H,17,19)/t11-,12-/m0/s1